#------------------------------------------------------------------------------
#$Date: 2016-02-14 05:40:26 +0100 (dom 14 de feb de 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/01/7000198.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7000198
loop_
_publ_author_name
'Bruce, Michael I.'
'Burgun, Aléxandre'
'Kramarczuk, Kathy A.'
'Nicholson, Brian K.'
'Parker, Christian R.'
'Skelton, Brian W.'
'White, Allan H.'
'Zaitseva, Natasha N.'
_publ_section_title
;
 Tricyanovinylalkynyl--metal complexes: synthesis and some reactions
;
_journal_issue                   1
_journal_name_full               'Dalton Transactions'
_journal_page_first              33
_journal_page_last               36
_journal_paper_doi               10.1039/b810720c
_journal_year                    2009
_chemical_formula_moiety         'C49 H36 N4 Os P2, C6 H6'
_chemical_formula_sum            'C55 H42 N4 Os P2'
_chemical_formula_weight         1011.07
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2007-11-27T13:43:01-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                95.985(2)
_cell_angle_beta                 90.544(2)
_cell_angle_gamma                102.438(2)
_cell_formula_units_Z            2
_cell_length_a                   9.8081(7)
_cell_length_b                   10.9462(8)
_cell_length_c                   21.134(2)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      74.1
_cell_measurement_theta_min      2.0
_cell_volume                     2202.5(3)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  .033
_diffrn_reflns_av_unetI/netI     0.0377
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            22647
_diffrn_reflns_theta_full        37.25
_diffrn_reflns_theta_max         37.78
_diffrn_reflns_theta_min         0.97
_exptl_absorpt_coefficient_mu    3.011
_exptl_absorpt_correction_T_max  .67
_exptl_absorpt_correction_T_min  .43
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            dark_red
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1012
_exptl_crystal_size_max          .44
_exptl_crystal_size_mid          .26
_exptl_crystal_size_min          .08
_refine_diff_density_max         2.072
_refine_diff_density_min         -2.085
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         22647
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0271
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0331P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0607
_refine_ls_wR_factor_ref         0.0624
_reflns_number_gt                19652
_reflns_number_total             22647
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b810720c.txt
_cod_data_source_block           br908
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_database_code               7000198
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Os Os 0.315421(6) 0.214377(5) 0.245248(3) 0.01322(2) Uani 1 1 d . . .
P1 P 0.12441(4) 0.21508(4) 0.311137(19) 0.01587(7) Uani 1 1 d . . .
C111 C -0.01546(17) 0.07139(16) 0.30132(8) 0.0190(3) Uani 1 1 d . . .
C112 C -0.15753(19) 0.07101(19) 0.30187(10) 0.0285(4) Uani 1 1 d . . .
H112 H -0.1871 0.1485 0.3059 0.034 Uiso 1 1 calc R . .
C113 C -0.2571(2) -0.0424(2) 0.29656(12) 0.0383(5) Uani 1 1 d . . .
H113 H -0.3537 -0.0416 0.2964 0.046 Uiso 1 1 calc R . .
C114 C -0.2150(2) -0.1563(2) 0.29160(11) 0.0360(5) Uani 1 1 d . . .
H114 H -0.2826 -0.2334 0.2888 0.043 Uiso 1 1 calc R . .
C115 C -0.0742(2) -0.15651(18) 0.29074(10) 0.0300(4) Uani 1 1 d . . .
H115 H -0.045 -0.2342 0.2875 0.036 Uiso 1 1 calc R . .
C116 C 0.02503(19) -0.04384(16) 0.29458(9) 0.0228(3) Uani 1 1 d . . .
H116 H 0.1214 -0.0454 0.2926 0.027 Uiso 1 1 calc R . .
P2 P 0.19164(4) 0.12103(4) 0.149655(19) 0.01404(6) Uani 1 1 d . . .
C121 C 0.17407(18) 0.22053(18) 0.39609(8) 0.0225(3) Uani 1 1 d . . .
C122 C 0.2461(2) 0.3360(2) 0.42687(9) 0.0311(4) Uani 1 1 d . . .
H122 H 0.2671 0.4075 0.4039 0.037 Uiso 1 1 calc R . .
C123 C 0.2870(2) 0.3472(3) 0.49044(10) 0.0416(6) Uani 1 1 d . . .
H123 H 0.3374 0.4258 0.5106 0.05 Uiso 1 1 calc R . .
C124 C 0.2550(3) 0.2444(3) 0.52471(11) 0.0489(7) Uani 1 1 d . . .
H124 H 0.282 0.2526 0.5685 0.059 Uiso 1 1 calc R . .
C125 C 0.1838(3) 0.1302(3) 0.49505(11) 0.0521(7) Uani 1 1 d . . .
H125 H 0.1625 0.0593 0.5185 0.063 Uiso 1 1 calc R . .
C126 C 0.1427(2) 0.1176(2) 0.43089(10) 0.0357(5) Uani 1 1 d . . .
H126 H 0.093 0.0385 0.4109 0.043 Uiso 1 1 calc R . .
C131 C 0.02591(18) 0.34112(16) 0.31797(8) 0.0212(3) Uani 1 1 d . . .
C132 C 0.02217(18) 0.41804(15) 0.27041(8) 0.0205(3) Uani 1 1 d . . .
H132 H 0.0797 0.4123 0.2348 0.025 Uiso 1 1 calc R . .
C133 C -0.0646(2) 0.50400(17) 0.27376(10) 0.0270(4) Uani 1 1 d . . .
H133 H -0.0674 0.5548 0.2402 0.032 Uiso 1 1 calc R . .
C134 C -0.1464(2) 0.51507(19) 0.32592(11) 0.0337(4) Uani 1 1 d . . .
H134 H -0.206 0.5732 0.3283 0.04 Uiso 1 1 calc R . .
C135 C -0.1413(3) 0.4412(2) 0.37465(12) 0.0407(5) Uani 1 1 d . . .
H135 H -0.1966 0.4493 0.4109 0.049 Uiso 1 1 calc R . .
C136 C -0.0558(2) 0.3553(2) 0.37094(11) 0.0359(5) Uani 1 1 d . . .
H136 H -0.0526 0.3054 0.4049 0.043 Uiso 1 1 calc R . .
C211 C 0.10033(17) -0.04608(14) 0.14555(8) 0.0177(3) Uani 1 1 d . . .
C212 C 0.18166(19) -0.13737(16) 0.14595(9) 0.0218(3) Uani 1 1 d . . .
H212 H 0.2804 -0.1118 0.1506 0.026 Uiso 1 1 calc R . .
C213 C 0.1185(2) -0.26487(17) 0.13954(9) 0.0270(4) Uani 1 1 d . . .
H213 H 0.1745 -0.3255 0.1408 0.032 Uiso 1 1 calc R . .
C214 C -0.0250(2) -0.30431(17) 0.13131(9) 0.0275(4) Uani 1 1 d . . .
H214 H -0.0674 -0.3915 0.1265 0.033 Uiso 1 1 calc R . .
C215 C -0.1063(2) -0.21536(17) 0.13016(10) 0.0282(4) Uani 1 1 d . . .
H215 H -0.2049 -0.2417 0.1246 0.034 Uiso 1 1 calc R . .
C216 C -0.04369(18) -0.08711(16) 0.13710(9) 0.0233(3) Uani 1 1 d . . .
H216 H -0.1004 -0.027 0.136 0.028 Uiso 1 1 calc R . .
C221 C 0.29810(16) 0.10936(14) 0.07864(7) 0.0166(3) Uani 1 1 d . . .
C222 C 0.42680(17) 0.19133(15) 0.07377(8) 0.0182(3) Uani 1 1 d . . .
H222 H 0.468 0.2459 0.11 0.022 Uiso 1 1 calc R . .
C223 C 0.49568(19) 0.19437(18) 0.01661(9) 0.0243(3) Uani 1 1 d . . .
H223 H 0.5825 0.2519 0.0138 0.029 Uiso 1 1 calc R . .
C224 C 0.4378(2) 0.11327(19) -0.03657(9) 0.0272(4) Uani 1 1 d . . .
H224 H 0.484 0.1162 -0.0759 0.033 Uiso 1 1 calc R . .
C225 C 0.3120(2) 0.02793(18) -0.03185(8) 0.0255(3) Uani 1 1 d . . .
H225 H 0.2738 -0.0296 -0.0676 0.031 Uiso 1 1 calc R . .
C226 C 0.24173(18) 0.02618(16) 0.02489(8) 0.0213(3) Uani 1 1 d . . .
H226 H 0.155 -0.0316 0.0274 0.026 Uiso 1 1 calc R . .
C231 C 0.05603(16) 0.19304(14) 0.11684(7) 0.0156(2) Uani 1 1 d . . .
C232 C -0.05535(17) 0.21072(15) 0.15471(8) 0.0190(3) Uani 1 1 d . . .
H232 H -0.0665 0.1761 0.1942 0.023 Uiso 1 1 calc R . .
C233 C -0.15042(19) 0.27852(17) 0.13528(9) 0.0232(3) Uani 1 1 d . . .
H233 H -0.226 0.2892 0.1615 0.028 Uiso 1 1 calc R . .
C234 C -0.13552(19) 0.33044(17) 0.07805(9) 0.0240(3) Uani 1 1 d . . .
H234 H -0.1987 0.3788 0.0654 0.029 Uiso 1 1 calc R . .
C235 C -0.0271(2) 0.31074(17) 0.03943(8) 0.0245(3) Uani 1 1 d . . .
H235 H -0.0172 0.3446 -0.0003 0.029 Uiso 1 1 calc R . .
C236 C 0.06725(18) 0.24219(16) 0.05804(8) 0.0204(3) Uani 1 1 d . . .
H236 H 0.14 0.2285 0.0307 0.025 Uiso 1 1 calc R . .
C1 C 0.39790(17) 0.50968(15) 0.26681(7) 0.0174(3) Uani 1 1 d . . .
C11 C 0.46302(19) 0.51619(17) 0.32808(8) 0.0223(3) Uani 1 1 d . . .
N11 N 0.5233(2) 0.52931(18) 0.37632(8) 0.0331(4) Uani 1 1 d . . .
C12 C 0.40952(19) 0.63265(16) 0.24566(8) 0.0220(3) Uani 1 1 d . . .
N12 N 0.4189(2) 0.73164(16) 0.22966(9) 0.0347(4) Uani 1 1 d . . .
C2 C 0.33613(15) 0.40019(14) 0.22877(7) 0.0144(2) Uani 1 1 d . . .
C3 C 0.30000(16) 0.42431(14) 0.16440(7) 0.0156(2) Uani 1 1 d . . .
H3 H 0.204 0.4078 0.1518 0.019 Uiso 1 1 calc R . .
C4 C 0.39595(17) 0.46892(14) 0.12178(7) 0.0174(3) Uani 1 1 d . . .
C41 C 0.54276(19) 0.49622(16) 0.13802(8) 0.0215(3) Uani 1 1 d . . .
N41 N 0.65816(17) 0.51297(17) 0.15376(9) 0.0304(3) Uani 1 1 d . . .
C42 C 0.35400(19) 0.48517(17) 0.05842(9) 0.0236(3) Uani 1 1 d . . .
N42 N 0.3183(2) 0.4992(2) 0.00865(9) 0.0371(4) Uani 1 1 d . . .
C101 C 0.48082(18) 0.23317(17) 0.32240(8) 0.0228(3) Uani 1 1 d . . .
H101 H 0.4887 0.2933 0.3588 0.027 Uiso 1 1 calc R . .
C102 C 0.40047(19) 0.10719(17) 0.31658(9) 0.0230(3) Uani 1 1 d . . .
H102 H 0.3452 0.0691 0.3489 0.028 Uiso 1 1 calc R . .
C103 C 0.41598(19) 0.04797(16) 0.25517(9) 0.0228(3) Uani 1 1 d . . .
H103 H 0.3739 -0.0361 0.239 0.027 Uiso 1 1 calc R . .
C104 C 0.50733(19) 0.13884(18) 0.22171(9) 0.0240(3) Uani 1 1 d . . .
H104 H 0.5361 0.1256 0.1792 0.029 Uiso 1 1 calc R . .
C105 C 0.54698(17) 0.25200(17) 0.26344(9) 0.0229(3) Uani 1 1 d . . .
H105 H 0.6074 0.3274 0.2536 0.028 Uiso 1 1 calc R . .
C01 C 0.2736(6) -0.2182(4) 0.38128(18) 0.107(2) Uani 1 1 d D . .
H01 H 0.27 -0.2268 0.3361 0.128 Uiso 1 1 calc R . .
C02 C 0.3980(5) -0.1715(5) 0.4130(3) 0.129(3) Uani 1 1 d D . .
H02 H 0.4795 -0.1425 0.3901 0.154 Uiso 1 1 calc R . .
C03 C 0.4058(4) -0.1663(4) 0.4790(2) 0.0967(15) Uani 1 1 d D . .
H03 H 0.4934 -0.1407 0.5014 0.116 Uiso 1 1 calc R . .
C04 C 0.2861(4) -0.1986(6) 0.51078(17) 0.120(2) Uani 1 1 d D . .
H04 H 0.2887 -0.1935 0.5559 0.144 Uiso 1 1 calc R . .
C05 C 0.1606(5) -0.2387(8) 0.4771(2) 0.176(4) Uani 1 1 d D . .
H05 H 0.0766 -0.2567 0.4996 0.212 Uiso 1 1 calc R . .
C06 C 0.1539(6) -0.2530(5) 0.4132(2) 0.134(3) Uani 1 1 d D . .
H06 H 0.0674 -0.2868 0.3907 0.161 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -1.2165 7.603 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 Os C105 88.86(6) . . ?
C2 Os C101 100.85(6) . . ?
C105 Os C101 36.95(7) . . ?
C2 Os C104 113.17(6) . . ?
C105 Os C104 36.88(7) . . ?
C101 Os C104 61.66(6) . . ?
C2 Os C102 137.03(6) . . ?
C105 Os C102 61.24(7) . . ?
C101 Os C102 36.84(7) . . ?
C104 Os C102 61.12(7) . . ?
C2 Os C103 149.11(6) . . ?
C105 Os C103 61.56(7) . . ?
C101 Os C103 61.49(6) . . ?
C104 Os C103 37.00(7) . . ?
C102 Os C103 36.30(7) . . ?
C2 Os P1 93.95(4) . . ?
C105 Os P1 133.78(5) . . ?
C101 Os P1 97.73(5) . . ?
C104 Os P1 147.86(5) . . ?
C102 Os P1 87.43(5) . . ?
C103 Os P1 112.59(5) . . ?
C2 Os P2 97.69(4) . . ?
C105 Os P2 126.77(5) . . ?
C101 Os P2 154.31(5) . . ?
C104 Os P2 94.67(5) . . ?
C102 Os P2 124.61(5) . . ?
C103 Os P2 93.83(4) . . ?
P1 Os P2 98.575(15) . . ?
C131 P1 C111 102.61(8) . . ?
C131 P1 C121 98.53(8) . . ?
C111 P1 C121 100.70(8) . . ?
C131 P1 Os 123.66(6) . . ?
C111 P1 Os 115.77(6) . . ?
C121 P1 Os 112.05(6) . . ?
C112 C111 C116 118.53(16) . . ?
C112 C111 P1 124.17(14) . . ?
C116 C111 P1 117.28(13) . . ?
C111 C112 C113 120.59(19) . . ?
C111 C112 H112 119.7 . . ?
C113 C112 H112 119.7 . . ?
C114 C113 C112 120.19(19) . . ?
C114 C113 H113 119.9 . . ?
C112 C113 H113 119.9 . . ?
C115 C114 C113 119.47(18) . . ?
C115 C114 H114 120.3 . . ?
C113 C114 H114 120.3 . . ?
C114 C115 C116 120.47(19) . . ?
C114 C115 H115 119.8 . . ?
C116 C115 H115 119.8 . . ?
C115 C116 C111 120.70(18) . . ?
C115 C116 H116 119.7 . . ?
C111 C116 H116 119.7 . . ?
C221 P2 C211 98.16(7) . . ?
C221 P2 C231 99.45(7) . . ?
C211 P2 C231 101.73(7) . . ?
C221 P2 Os 115.92(5) . . ?
C211 P2 Os 117.89(5) . . ?
C231 P2 Os 119.95(5) . . ?
C126 C121 C122 118.62(17) . . ?
C126 C121 P1 123.94(15) . . ?
C122 C121 P1 117.43(14) . . ?
C123 C122 C121 120.7(2) . . ?
C123 C122 H122 119.7 . . ?
C121 C122 H122 119.7 . . ?
C124 C123 C122 120.3(2) . . ?
C124 C123 H123 119.9 . . ?
C122 C123 H123 119.9 . . ?
C125 C124 C123 119.7(2) . . ?
C125 C124 H124 120.2 . . ?
C123 C124 H124 120.2 . . ?
C124 C125 C126 120.6(2) . . ?
C124 C125 H125 119.7 . . ?
C126 C125 H125 119.7 . . ?
C121 C126 C125 120.2(2) . . ?
C121 C126 H126 119.9 . . ?
C125 C126 H126 119.9 . . ?
C132 C131 C136 118.02(16) . . ?
C132 C131 P1 122.32(13) . . ?
C136 C131 P1 119.53(14) . . ?
C131 C132 C133 121.18(16) . . ?
C131 C132 H132 119.4 . . ?
C133 C132 H132 119.4 . . ?
C134 C133 C132 119.91(18) . . ?
C134 C133 H133 120 . . ?
C132 C133 H133 120 . . ?
C133 C134 C135 119.66(18) . . ?
C133 C134 H134 120.2 . . ?
C135 C134 H134 120.2 . . ?
C134 C135 C136 120.27(19) . . ?
C134 C135 H135 119.9 . . ?
C136 C135 H135 119.9 . . ?
C135 C136 C131 120.93(19) . . ?
C135 C136 H136 119.5 . . ?
C131 C136 H136 119.5 . . ?
C216 C211 C212 118.15(15) . . ?
C216 C211 P2 123.49(13) . . ?
C212 C211 P2 118.17(12) . . ?
C213 C212 C211 120.52(17) . . ?
C213 C212 H212 119.7 . . ?
C211 C212 H212 119.7 . . ?
C214 C213 C212 120.68(17) . . ?
C214 C213 H213 119.7 . . ?
C212 C213 H213 119.7 . . ?
C213 C214 C215 119.41(16) . . ?
C213 C214 H214 120.3 . . ?
C215 C214 H214 120.3 . . ?
C214 C215 C216 120.20(18) . . ?
C214 C215 H215 119.9 . . ?
C216 C215 H215 119.9 . . ?
C211 C216 C215 121.04(17) . . ?
C211 C216 H216 119.5 . . ?
C215 C216 H216 119.5 . . ?
C222 C221 C226 118.43(15) . . ?
C222 C221 P2 121.63(12) . . ?
C226 C221 P2 119.50(12) . . ?
C223 C222 C221 120.95(15) . . ?
C223 C222 H222 119.5 . . ?
C221 C222 H222 119.5 . . ?
C222 C223 C224 120.12(17) . . ?
C222 C223 H223 119.9 . . ?
C224 C223 H223 119.9 . . ?
C225 C224 C223 119.59(17) . . ?
C225 C224 H224 120.2 . . ?
C223 C224 H224 120.2 . . ?
C226 C225 C224 120.39(16) . . ?
C226 C225 H225 119.8 . . ?
C224 C225 H225 119.8 . . ?
C225 C226 C221 120.46(16) . . ?
C225 C226 H226 119.8 . . ?
C221 C226 H226 119.8 . . ?
C232 C231 C236 118.16(14) . . ?
C232 C231 P2 118.79(12) . . ?
C236 C231 P2 122.74(12) . . ?
C233 C232 C231 120.80(16) . . ?
C233 C232 H232 119.6 . . ?
C231 C232 H232 119.6 . . ?
C234 C233 C232 120.53(17) . . ?
C234 C233 H233 119.7 . . ?
C232 C233 H233 119.7 . . ?
C233 C234 C235 119.01(16) . . ?
C233 C234 H234 120.5 . . ?
C235 C234 H234 120.5 . . ?
C234 C235 C236 120.88(16) . . ?
C234 C235 H235 119.6 . . ?
C236 C235 H235 119.6 . . ?
C235 C236 C231 120.55(16) . . ?
C235 C236 H236 119.7 . . ?
C231 C236 H236 119.7 . . ?
C2 C1 C11 125.83(15) . . ?
C2 C1 C12 122.02(14) . . ?
C11 C1 C12 112.07(14) . . ?
N11 C11 C1 174.7(2) . . ?
N12 C12 C1 179.02(19) . . ?
C1 C2 C3 112.42(13) . . ?
C1 C2 Os 129.80(11) . . ?
C3 C2 Os 117.13(10) . . ?
C4 C3 C2 123.77(14) . . ?
C4 C3 H3 118.1 . . ?
C2 C3 H3 118.1 . . ?
C3 C4 C41 120.81(15) . . ?
C3 C4 C42 121.03(15) . . ?
C41 C4 C42 118.10(15) . . ?
N41 C41 C4 175.80(19) . . ?
N42 C42 C4 178.5(2) . . ?
C105 C101 C102 107.19(15) . . ?
C105 C101 Os 71.14(9) . . ?
C102 C101 Os 71.95(9) . . ?
C105 C101 H101 126.4 . . ?
C102 C101 H101 126.4 . . ?
Os C101 H101 122.2 . . ?
C103 C102 C101 109.24(16) . . ?
C103 C102 Os 72.46(10) . . ?
C101 C102 Os 71.21(9) . . ?
C103 C102 H102 125.4 . . ?
C101 C102 H102 125.4 . . ?
Os C102 H102 122.6 . . ?
C102 C103 C104 107.19(15) . . ?
C102 C103 Os 71.24(9) . . ?
C104 C103 Os 70.60(9) . . ?
C102 C103 H103 126.4 . . ?
C104 C103 H103 126.4 . . ?
Os C103 H103 123.4 . . ?
C105 C104 C103 107.93(16) . . ?
C105 C104 Os 71.11(10) . . ?
C103 C104 Os 72.40(10) . . ?
C105 C104 H104 126 . . ?
C103 C104 H104 126 . . ?
Os C104 H104 122.2 . . ?
C104 C105 C101 108.45(16) . . ?
C104 C105 Os 72.01(10) . . ?
C101 C105 Os 71.91(10) . . ?
C104 C105 H105 125.8 . . ?
C101 C105 H105 125.8 . . ?
Os C105 H105 122 . . ?
C02 C01 C06 121.2(4) . . ?
C02 C01 H01 119.4 . . ?
C06 C01 H01 119.4 . . ?
C01 C02 C03 119.7(4) . . ?
C01 C02 H02 120.1 . . ?
C03 C02 H02 120.1 . . ?
C04 C03 C02 118.9(4) . . ?
C04 C03 H03 120.6 . . ?
C02 C03 H03 120.6 . . ?
C03 C04 C05 119.5(4) . . ?
C03 C04 H04 120.3 . . ?
C05 C04 H04 120.3 . . ?
C06 C05 C04 121.8(4) . . ?
C06 C05 H05 119.1 . . ?
C04 C05 H05 119.1 . . ?
C05 C06 C01 118.6(4) . . ?
C05 C06 H06 120.7 . . ?
C01 C06 H06 120.7 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os C2 2.0665(15) . ?
Os C105 2.2413(16) . ?
Os C101 2.2513(16) . ?
Os C104 2.2531(17) . ?
Os C102 2.2609(16) . ?
Os C103 2.2769(16) . ?
Os P1 2.3457(4) . ?
Os P2 2.3639(4) . ?
P1 C131 1.8420(17) . ?
P1 C111 1.8428(17) . ?
P1 C121 1.8473(17) . ?
C111 C112 1.393(2) . ?
C111 C116 1.396(2) . ?
C112 C113 1.398(3) . ?
C112 H112 0.95 . ?
C113 C114 1.389(3) . ?
C113 H113 0.95 . ?
C114 C115 1.382(3) . ?
C114 H114 0.95 . ?
C115 C116 1.391(3) . ?
C115 H115 0.95 . ?
C116 H116 0.95 . ?
P2 C221 1.8456(16) . ?
P2 C211 1.8481(16) . ?
P2 C231 1.8493(15) . ?
C121 C126 1.390(3) . ?
C121 C122 1.398(3) . ?
C122 C123 1.384(3) . ?
C122 H122 0.95 . ?
C123 C124 1.382(4) . ?
C123 H123 0.95 . ?
C124 C125 1.377(4) . ?
C124 H124 0.95 . ?
C125 C126 1.395(3) . ?
C125 H125 0.95 . ?
C126 H126 0.95 . ?
C131 C132 1.382(2) . ?
C131 C136 1.398(3) . ?
C132 C133 1.396(2) . ?
C132 H132 0.95 . ?
C133 C134 1.380(3) . ?
C133 H133 0.95 . ?
C134 C135 1.381(3) . ?
C134 H134 0.95 . ?
C135 C136 1.385(3) . ?
C135 H135 0.95 . ?
C136 H136 0.95 . ?
C211 C216 1.391(2) . ?
C211 C212 1.407(2) . ?
C212 C213 1.391(2) . ?
C212 H212 0.95 . ?
C213 C214 1.384(3) . ?
C213 H213 0.95 . ?
C214 C215 1.387(3) . ?
C214 H214 0.95 . ?
C215 C216 1.398(2) . ?
C215 H215 0.95 . ?
C216 H216 0.95 . ?
C221 C222 1.394(2) . ?
C221 C226 1.407(2) . ?
C222 C223 1.390(2) . ?
C222 H222 0.95 . ?
C223 C224 1.392(3) . ?
C223 H223 0.95 . ?
C224 C225 1.389(3) . ?
C224 H224 0.95 . ?
C225 C226 1.388(3) . ?
C225 H225 0.95 . ?
C226 H226 0.95 . ?
C231 C232 1.395(2) . ?
C231 C236 1.401(2) . ?
C232 C233 1.394(2) . ?
C232 H232 0.95 . ?
C233 C234 1.385(3) . ?
C233 H233 0.95 . ?
C234 C235 1.386(3) . ?
C234 H234 0.95 . ?
C235 C236 1.389(2) . ?
C235 H235 0.95 . ?
C236 H236 0.95 . ?
C1 C2 1.388(2) . ?
C1 C11 1.427(2) . ?
C1 C12 1.444(2) . ?
C11 N11 1.154(2) . ?
C12 N12 1.154(2) . ?
C2 C3 1.467(2) . ?
C3 C4 1.358(2) . ?
C3 H3 0.95 . ?
C4 C41 1.437(2) . ?
C4 C42 1.437(2) . ?
C41 N41 1.147(2) . ?
C42 N42 1.141(2) . ?
C101 C105 1.424(3) . ?
C101 C102 1.426(3) . ?
C101 H101 0.95 . ?
C102 C103 1.414(3) . ?
C102 H102 0.95 . ?
C103 C104 1.438(3) . ?
C103 H103 0.95 . ?
C104 C105 1.422(3) . ?
C104 H104 0.95 . ?
C105 H105 0.95 . ?
C01 C02 1.358(6) . ?
C01 C06 1.361(5) . ?
C01 H01 0.95 . ?
C02 C03 1.392(6) . ?
C02 H02 0.95 . ?
C03 C04 1.356(5) . ?
C03 H03 0.95 . ?
C04 C05 1.378(5) . ?
C04 H04 0.95 . ?
C05 C06 1.342(5) . ?
C05 H05 0.95 . ?
C06 H06 0.95 . ?
